(3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine

C16H29N3 — CID 163401467

IUPAC(3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine
SMILESCCCCCN1CCC[C@@H](Cn2cc(CC)cn2)C1
InChIInChI=1S/C16H29N3/c1-3-5-6-9-18-10-7-8-16(12-18)14-19-13-15(4-2)11-17-19/h11,13,16H,3-10,12,14H2,1-2H3/t16-/m1/s1
InChIKeyIUFCPWNGYVWFFY-MRXNPFEDSA-N
MW263.43 g/mol
LogP3.35
Rot. Bonds7

About (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine

(3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine (PubChem CID 163401467) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine.

Molecular Properties

Compound Name(3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine
PubChem CID163401467
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine
SMILESCCCCCN1CCC[C@@H](Cn2cc(CC)cn2)C1
InChIInChI=1S/C16H29N3/c1-3-5-6-9-18-10-7-8-16(12-18)14-19-13-15(4-2)11-17-19/h11,13,16H,3-10,12,14H2,1-2H3/t16-/m1/s1
InChIKeyIUFCPWNGYVWFFY-MRXNPFEDSA-N
XLogP3.35
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.35
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

3-ethyl-1-heptylpiperidine
CID 171569576
2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
CID 46991908
1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-dodecylpiperidine
CID 171569666
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine?
The IUPAC name of (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine (CID 163401467) is (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine.
What is the SMILES notation for (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine?
The canonical SMILES for (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine is CCCCCN1CCC[C@@H](Cn2cc(CC)cn2)C1.
What is the InChIKey of (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine?
The InChIKey is IUFCPWNGYVWFFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-6-9-18-10-7-8-16(12-18)14-19-13-15(4-2)11-17-19/h11,13,16H,3-10,12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine?
(3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine has a molecular weight of 263.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine is sourced from PubChem (CID 163401467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).