1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine

C18H37N3 — CID 163269266

IUPAC1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
SMILESCC(C)C1CCN(CCCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-17(2)18-7-11-20(12-8-18)9-5-4-6-10-21-15-13-19(3)14-16-21/h17-18H,4-16H2,1-3H3
InChIKeyCWZZZQRMNSEHTF-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.77
Rot. Bonds7

About 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine

1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine (PubChem CID 163269266) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
PubChem CID163269266
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
SMILESCC(C)C1CCN(CCCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-17(2)18-7-11-20(12-8-18)9-5-4-6-10-21-15-13-19(3)14-16-21/h17-18H,4-16H2,1-3H3
InChIKeyCWZZZQRMNSEHTF-UHFFFAOYSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-4-propan-2-ylpiperidine
CID 166461232
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
6-(4-propan-2-ylpiperidin-1-yl)hexan-3-amine
CID 106800167
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine?
The IUPAC name of 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine (CID 163269266) is 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine?
The canonical SMILES for 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine is CC(C)C1CCN(CCCCCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine?
The InChIKey is CWZZZQRMNSEHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-17(2)18-7-11-20(12-8-18)9-5-4-6-10-21-15-13-19(3)14-16-21/h17-18H,4-16H2,1-3H3.
What are the key properties of 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine?
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine has a molecular weight of 295.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine is sourced from PubChem (CID 163269266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).