1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine

C18H29N3 — CID 61441210

IUPAC1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H29N3/c1-3-19-15(2)17-6-4-5-7-18(17)21-12-10-20(11-13-21)14-16-8-9-16/h4-7,15-16,19H,3,8-14H2,1-2H3
InChIKeyIPTIWCNMPRUWFG-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine

1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine (PubChem CID 61441210) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine
PubChem CID61441210
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H29N3/c1-3-19-15(2)17-6-4-5-7-18(17)21-12-10-20(11-13-21)14-16-8-9-16/h4-7,15-16,19H,3,8-14H2,1-2H3
InChIKeyIPTIWCNMPRUWFG-UHFFFAOYSA-N
XLogP2.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine (CID 61441210) is 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine?
The InChIKey is IPTIWCNMPRUWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-19-15(2)17-6-4-5-7-18(17)21-12-10-20(11-13-21)14-16-8-9-16/h4-7,15-16,19H,3,8-14H2,1-2H3.
What are the key properties of 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine?
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 61441210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).