1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine

C19H31N3O — CID 84587836

IUPAC1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
SMILESc1coc(C(CNC2CCN(CC3CC3)CC2)N2CCCC2)c1
InChIInChI=1S/C19H31N3O/c1-2-10-22(9-1)18(19-4-3-13-23-19)14-20-17-7-11-21(12-8-17)15-16-5-6-16/h3-4,13,16-18,20H,1-2,5-12,14-15H2
InChIKeyVTJRCDYHBNJBTK-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.88
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine

1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine (PubChem CID 84587836) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
PubChem CID84587836
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
SMILESc1coc(C(CNC2CCN(CC3CC3)CC2)N2CCCC2)c1
InChIInChI=1S/C19H31N3O/c1-2-10-22(9-1)18(19-4-3-13-23-19)14-20-17-7-11-21(12-8-17)15-16-5-6-16/h3-4,13,16-18,20H,1-2,5-12,14-15H2
InChIKeyVTJRCDYHBNJBTK-UHFFFAOYSA-N
XLogP2.88
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 43181238
4-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclohexane-1,4-diamine
CID 79724195
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylpyrrolidin-3-amine
CID 62975040
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine
CID 65070997
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723807
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxycyclobutan-1-amine
CID 104870773
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
CID 43181240
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55769977
1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide
CID 97078733

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine?
The IUPAC name of 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine (CID 84587836) is 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine is c1coc(C(CNC2CCN(CC3CC3)CC2)N2CCCC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine?
The InChIKey is VTJRCDYHBNJBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-2-10-22(9-1)18(19-4-3-13-23-19)14-20-17-7-11-21(12-8-17)15-16-5-6-16/h3-4,13,16-18,20H,1-2,5-12,14-15H2.
What are the key properties of 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine?
1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine has a molecular weight of 317.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine is sourced from PubChem (CID 84587836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).