3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine

C14H27N3 — CID 63169624

IUPAC3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
SMILESC1CNCC(CN2CCC(N3CCCC3)C2)C1
InChIInChI=1S/C14H27N3/c1-2-8-17(7-1)14-5-9-16(12-14)11-13-4-3-6-15-10-13/h13-15H,1-12H2
InChIKeyNJSSGJDKAKSUAZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.16
Rot. Bonds3

About 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine

3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine (PubChem CID 63169624) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
PubChem CID63169624
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
SMILESC1CNCC(CN2CCC(N3CCCC3)C2)C1
InChIInChI=1S/C14H27N3/c1-2-8-17(7-1)14-5-9-16(12-14)11-13-4-3-6-15-10-13/h13-15H,1-12H2
InChIKeyNJSSGJDKAKSUAZ-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
CID 170022732
2-(2-piperidin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79932356
8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride
CID 120848758
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine
CID 120849762
1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 177096923

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine (CID 63169624) is 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine is C1CNCC(CN2CCC(N3CCCC3)C2)C1.
What is the InChIKey of 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine?
The InChIKey is NJSSGJDKAKSUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-8-17(7-1)14-5-9-16(12-14)11-13-4-3-6-15-10-13/h13-15H,1-12H2.
What are the key properties of 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine?
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 63169624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).