4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine

C16H30N2 — CID 174171978

IUPAC4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCCC1=CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H30N2/c1-4-15-5-9-17(10-6-15)13-16-7-11-18(12-8-16)14(2)3/h5,14,16H,4,6-13H2,1-3H3
InChIKeyFIKGHQQVTHKBQC-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.15
Rot. Bonds4

About 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine

4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 174171978) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID174171978
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCCC1=CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H30N2/c1-4-15-5-9-17(10-6-15)13-16-7-11-18(12-8-16)14(2)3/h5,14,16H,4,6-13H2,1-3H3
InChIKeyFIKGHQQVTHKBQC-UHFFFAOYSA-N
XLogP3.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 144868102
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 176795488
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 176562259

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine (CID 174171978) is 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine is CCC1=CCN(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is FIKGHQQVTHKBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-15-5-9-17(10-6-15)13-16-7-11-18(12-8-16)14(2)3/h5,14,16H,4,6-13H2,1-3H3.
What are the key properties of 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine?
4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 250.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174171978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).