5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine

C18H29N3 — CID 143718986

IUPAC5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESCC(C)c1ccc(N2CCC(CN3CCCC3)CC2)nc1
InChIInChI=1S/C18H29N3/c1-15(2)17-5-6-18(19-13-17)21-11-7-16(8-12-21)14-20-9-3-4-10-20/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3
InChIKeyOOVMFUVQTCXUHW-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.52
Rot. Bonds4

About 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine

5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine (PubChem CID 143718986) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
PubChem CID143718986
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESCC(C)c1ccc(N2CCC(CN3CCCC3)CC2)nc1
InChIInChI=1S/C18H29N3/c1-15(2)17-5-6-18(19-13-17)21-11-7-16(8-12-21)14-20-9-3-4-10-20/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3
InChIKeyOOVMFUVQTCXUHW-UHFFFAOYSA-N
XLogP3.52
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 141263787
[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 63007762
5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine
CID 176934902
1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 166045151
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
5-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 171429390
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171429399

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The IUPAC name of 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine (CID 143718986) is 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine is CC(C)c1ccc(N2CCC(CN3CCCC3)CC2)nc1.
What is the InChIKey of 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The InChIKey is OOVMFUVQTCXUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15(2)17-5-6-18(19-13-17)21-11-7-16(8-12-21)14-20-9-3-4-10-20/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine has a molecular weight of 287.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 143718986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).