4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine

C14H29N3 — CID 63009941

IUPAC4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
SMILESCC(N)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H29N3/c1-13(15)4-9-16-10-5-14(6-11-16)12-17-7-2-3-8-17/h13-14H,2-12,15H2,1H3
InChIKeySOWHKXWXYHOTRK-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds5

About 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine (PubChem CID 63009941) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
PubChem CID63009941
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
SMILESCC(N)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H29N3/c1-13(15)4-9-16-10-5-14(6-11-16)12-17-7-2-3-8-17/h13-14H,2-12,15H2,1H3
InChIKeySOWHKXWXYHOTRK-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
CID 64791262
1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
CID 83835140
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 113416111
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 55141477
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
4-(1-propylpyrrolidin-3-yl)butan-2-amine
CID 83981036
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine (CID 63009941) is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine is CC(N)CCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The InChIKey is SOWHKXWXYHOTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13(15)4-9-16-10-5-14(6-11-16)12-17-7-2-3-8-17/h13-14H,2-12,15H2,1H3.
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine is sourced from PubChem (CID 63009941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).