1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine

C15H29N3 — CID 173416506

IUPAC1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine
SMILESC1CCN(C(C2CCCCN2)N2CCCC2)CC1
InChIInChI=1S/C15H29N3/c1-4-10-17(11-5-1)15(18-12-6-7-13-18)14-8-2-3-9-16-14/h14-16H,1-13H2
InChIKeyKLNGQGZTKPBTRZ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.04
Rot. Bonds3

About 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine

1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine (PubChem CID 173416506) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine
PubChem CID173416506
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine
SMILESC1CCN(C(C2CCCCN2)N2CCCC2)CC1
InChIInChI=1S/C15H29N3/c1-4-10-17(11-5-1)15(18-12-6-7-13-18)14-8-2-3-9-16-14/h14-16H,1-13H2
InChIKeyKLNGQGZTKPBTRZ-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-propan-2-ylazepane
CID 7048221
ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 158490394
1-[(1S)-1-[(2R)-piperidin-2-yl]ethyl]piperazine
CID 97297803
1-[(1S)-1-[(2S)-piperidin-2-yl]ethyl]piperazine
CID 97297801
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
1-(2,2-dipyrrolidin-1-ylethyl)-2-(1-piperidin-2-ylethyl)piperidine
CID 57183987
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116
ethane;2-propan-2-ylpiperidine
CID 154671868
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
2-[cyclopropyl(fluoro)methyl]azepane
CID 105434879
N-(1-piperidin-2-ylethyl)piperidine-1-carboxamide
CID 79155536

Frequently Asked Questions

What is the IUPAC name of 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine (CID 173416506) is 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine is C1CCN(C(C2CCCCN2)N2CCCC2)CC1.
What is the InChIKey of 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine?
The InChIKey is KLNGQGZTKPBTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-10-17(11-5-1)15(18-12-6-7-13-18)14-8-2-3-9-16-14/h14-16H,1-13H2.
What are the key properties of 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine?
1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine has a molecular weight of 251.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[piperidin-2-yl(pyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 173416506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).